benzyl N-[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]carbamate

C23H19N5O3 — CID 58247431

IUPACbenzyl N-[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]carbamate
SMILESNc1cnc(-c2cccnc2)nc1Oc1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C23H19N5O3/c24-20-14-26-21(17-7-4-12-25-13-17)28-22(20)31-19-10-8-18(9-11-19)27-23(29)30-15-16-5-2-1-3-6-16/h1-14H,15,24H2,(H,27,29)
InChIKeyAJVWETCJDKULML-UHFFFAOYSA-N
MW413.44 g/mol
LogP4.66
Rot. Bonds6

About benzyl N-[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]carbamate

benzyl N-[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]carbamate (PubChem CID 58247431) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is benzyl N-[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]carbamate
PubChem CID58247431
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC Namebenzyl N-[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]carbamate
SMILESNc1cnc(-c2cccnc2)nc1Oc1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C23H19N5O3/c24-20-14-26-21(17-7-4-12-25-13-17)28-22(20)31-19-10-8-18(9-11-19)27-23(29)30-15-16-5-2-1-3-6-16/h1-14H,15,24H2,(H,27,29)
InChIKeyAJVWETCJDKULML-UHFFFAOYSA-N
XLogP4.66
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxybenzoate
CID 141300401
[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone
CID 141300393
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate
CID 22618116
5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid
CID 53224753
(4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate
CID 171824215
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
benzyl N-(4-prop-2-enoxyphenyl)carbamate
CID 4952532
N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913
benzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate
CID 135394527
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]carbamate?
The IUPAC name of benzyl N-[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]carbamate (CID 58247431) is benzyl N-[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]carbamate?
The canonical SMILES for benzyl N-[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]carbamate is Nc1cnc(-c2cccnc2)nc1Oc1ccc(NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]carbamate?
The InChIKey is AJVWETCJDKULML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c24-20-14-26-21(17-7-4-12-25-13-17)28-22(20)31-19-10-8-18(9-11-19)27-23(29)30-15-16-5-2-1-3-6-16/h1-14H,15,24H2,(H,27,29).
What are the key properties of benzyl N-[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]carbamate?
benzyl N-[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]carbamate has a molecular weight of 413.44 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]carbamate is sourced from PubChem (CID 58247431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).